Compound Identification
SMILES
O=C1[C@H]2CCN1[C@@H]1CCOC3=C1C=C(OC1=C(C=CC(CN4C=NC=C4CN2)=C1)C#N)C=C3
InChIKey
InChIKey=OBKQMZCTGOCMFK-FGZHOGPDSA-N
Formula
C25H23N5O3
Mass
441.491
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Macrolactams
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Macrolactams
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Macrolactams
Alternative Parents
Diarylethers 1-benzopyrans Alpha amino acids and derivatives Alkyl aryl ethers Aralkylamines Pyrrolidine-2-ones N-substituted imidazoles N-alkylpyrrolidines Benzenoids Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Dialkylamines Azacyclic compounds Nitriles Oxacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macrolactam - Diaryl ether - Alpha-amino acid or derivatives - 1-benzopyran - Chromane - Benzopyran - Alkyl aryl ether - Aralkylamine - N-substituted imidazole - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Tertiary carboxylic acid amide - Imidazole - Azole - Pyrrolidine - Heteroaromatic compound - Lactam - Amino acid or derivatives - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Organoheterocyclic compound - Ether - Secondary amine - Nitrile - Carbonitrile - Organic oxygen compound - Amine - Cyanide - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.
External Descriptors
Not available